SCHEMBL7026477

SCHEMBL7026477

CCn1c(=S)[nH]c(=S)c2[nH]c(C3CC3)nc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.52
ADORA2A P29274 6/20 0.52
ADORA2B P29275 5/20 0.52
ADORA3 P0DMS8 2/20 0.52
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7020242 0.89 ADORA1 (0.61) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8002284 0.86 ADORA1 (0.52) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7676923 0.86 ADORA1 (0.56) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL1388395 0.84 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL8001985 0.82 ADORA1 (0.45) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL1387996 0.81 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL1388396 0.81 ADORA1 (0.53) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7474152 0.78 ADORA1 (0.69) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7425220 0.78 ADORA1 (0.69) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7480731 0.77 ADORA1 (0.71) ADORA1ADORA2AADORA2BADORA3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US claimed
EP-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 EP disclosed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US disclosed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0916672-A1 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed